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	hartrees
Energy at 0K	-234.609418
Energy at 298.15K	-234.620990
Nuclear repulsion energy	234.781535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3061	64.13
2	A	3089	2970	68.42
3	A	3065	2947	3.04
4	A	3035	2918	31.89
5	A	3014	2897	0.78
6	A	1717	1651	3.76
7	A	1526	1467	4.55
8	A	1505	1447	0.39
9	A	1396	1342	1.22
10	A	1375	1322	0.88
11	A	1276	1227	0.43
12	A	1258	1209	0.27
13	A	1173	1127	0.10
14	A	1113	1070	0.15
15	A	1102	1059	0.11
16	A	1018	979	0.01
17	A	918	883	4.03
18	A	837	805	2.00
19	A	824	792	0.97
20	A	503	483	0.13
21	A	401	386	0.01
22	A	278	267	0.13
23	B	3150	3028	12.17
24	B	3099	2979	100.77
25	B	3063	2944	102.99
26	B	3034	2916	22.43
27	B	3014	2897	89.22
28	B	1519	1460	9.23
29	B	1511	1452	15.59
30	B	1427	1372	0.44
31	B	1378	1325	0.44
32	B	1375	1321	2.83
33	B	1296	1246	2.23
34	B	1168	1123	5.79
35	B	1076	1035	2.81
36	B	1018	979	2.84
37	B	947	910	5.44
38	B	889	854	9.95
39	B	740	711	15.22
40	B	667	641	39.81
41	B	461	443	2.26
42	B	163	157	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.006	-0.676	1.315
C2	0.006	0.676	1.315
C3	0.000	1.514	0.047
C4	0.000	-1.514	0.047
C5	-0.373	0.677	-1.199
C6	0.373	-0.677	-1.199
H7	-0.022	-1.214	2.264
H8	0.022	1.214	2.264
H9	0.993	1.973	-0.092
H10	-0.993	-1.973	-0.092
H11	-0.704	2.352	0.163
H12	0.704	-2.352	0.163
H13	-1.458	0.488	-1.198
H14	1.458	-0.488	-1.198
H15	-0.146	1.241	-2.115
H16	0.146	-1.241	-2.115

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3517	2.5306	1.5201	2.8782	2.5426	1.0913	2.1148	3.1614	2.1531	3.3134	2.1540	3.1271	2.9149	3.9313	3.4791
C2	1.3517		1.5201	2.5306	2.5426	2.8782	2.1148	1.0913	2.1531	3.1614	2.1540	3.3134	2.9149	3.1271	3.4791	3.9313
C3	2.5306	1.5201		3.0283	1.5472	2.5479	3.5155	2.2378	1.1030	3.6283	1.1005	3.9311	2.1745	2.7724	2.1837	3.5048
C4	1.5201	2.5306	3.0283		2.5479	1.5472	2.2378	3.5155	3.6283	1.1030	3.9311	1.1005	2.7724	2.1745	3.5048	2.1837
C5	2.8782	2.5426	1.5472	2.5479		1.5455	3.9614	3.5271	2.1848	2.9375	2.1844	3.4911	1.1007	2.1703	1.0992	2.1873
C6	2.5426	2.8782	2.5479	1.5472	1.5455		3.5271	3.9614	2.9375	2.1848	3.4911	2.1844	2.1703	1.1007	2.1873	1.0992
H7	1.0913	2.1148	3.5155	2.2378	3.9614	3.5271		2.4278	4.0910	2.6597	4.1942	2.4972	4.1171	3.8348	5.0215	4.3823
H8	2.1148	1.0913	2.2378	3.5155	3.5271	3.9614	2.4278		2.6597	4.0910	2.4972	4.1942	3.8348	4.1171	4.3823	5.0215
H9	3.1614	2.1531	1.1030	3.6283	2.1848	2.9375	4.0910	2.6597		4.4175	1.7583	4.3415	3.0718	2.7379	2.4340	3.8904
H10	2.1531	3.1614	3.6283	1.1030	2.9375	2.1848	2.6597	4.0910	4.4175		4.3415	1.7583	2.7379	3.0718	3.8904	2.4340
H11	3.3134	2.1540	1.1005	3.9311	2.1844	3.4911	4.1942	2.4972	1.7583	4.3415		4.9096	2.4278	3.8203	2.5952	4.3379
H12	2.1540	3.3134	3.9311	1.1005	3.4911	2.1844	2.4972	4.1942	4.3415	1.7583	4.9096		3.8203	2.4278	4.3379	2.5952
H13	3.1271	2.9149	2.1745	2.7724	1.1007	2.1703	4.1171	3.8348	3.0718	2.7379	2.4278	3.8203		3.0748	1.7682	2.5300
H14	2.9149	3.1271	2.7724	2.1745	2.1703	1.1007	3.8348	4.1171	2.7379	3.0718	3.8203	2.4278	3.0748		2.5300	1.7682
H15	3.9313	3.4791	2.1837	3.5048	1.0992	2.1873	5.0215	4.3823	2.4340	3.8904	2.5952	4.3379	1.7682	2.5300		2.4987
H16	3.4791	3.9313	3.5048	2.1837	2.1873	1.0992	4.3823	5.0215	3.8904	2.4340	4.3379	2.5952	2.5300	1.7682	2.4987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.466	C1	C2	H8	119.538
C1	C4	C6	111.981	C1	C4	H10	109.308
C1	C4	H12	109.521	C2	C1	C4	123.466
C2	C1	H7	119.538	C2	C3	C5	111.981
C2	C3	H9	109.308	C2	C3	H11	109.521
C3	C2	H8	116.996	C3	C5	C6	110.941
C3	C5	H13	109.261	C3	C5	H15	110.061
C4	C1	H7	116.996	C4	C6	C5	110.941
C4	C6	H14	109.261	C4	C6	H16	110.061
C5	C3	H9	109.927	C5	C3	H11	110.042
C5	C6	H14	109.040	C5	C6	H16	110.456
C6	C4	H10	109.927	C6	C4	H12	110.042
C6	C5	H13	109.040	C6	C5	H15	110.456
H9	C3	H11	105.875	H10	C4	H12	105.875
H13	C5	H15	106.986	H14	C6	H16	106.986

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: B3LYP/SDD

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.187
2	C	-0.187
3	C	-0.385
4	C	-0.385
5	C	-0.359
6	C	-0.359
7	H	0.189
8	H	0.189
9	H	0.190
10	H	0.190
11	H	0.190
12	H	0.190
13	H	0.182
14	H	0.182
15	H	0.181
16	H	0.181

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)